2-(1-methoxypropan-2-ylamino)-6-(4-methylsulfonylphenoxy)-N-pyridazin-3-yl-pyridine-4-carboxamide

Systemtic Name: 2-(1-methoxypropan-2-ylamino)-6-(4-methylsulfonylphenoxy)-N-pyridazin-3-yl-pyridine-4-carboxamide Openeye Name: 2-[(2-methoxy-1-methyl-ethyl)amino]-6-(4-methylsulfonylphenoxy)-N-pyridazin-3-yl-pyridine-4-carboxamide CAS Name: 2-(1-methoxypropan-2-ylamino)-6-(4-methylsulfonylphenoxy)-N-(3-pyridazinyl)-4-pyridinecarboxamide IUPAC Name: 2-(1-methoxypropan-2-ylamino)-6-(4-methylsulfonylphenoxy)-N-pyridazin-3-ylpyridine-4-carboxamide Traditional Name: 2-(4-mesylphenoxy)-6-[(2-methoxy-1-methyl-ethyl)amino]-N-pyridazin-3-yl-isonicotinamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC(=CC(=C1)C(=O)NC2=NN=CC=C2)OC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(COC)NC1=NC(=CC(=C1)C(=O)NC2=NN=CC=C2)OC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23N5O5S/c1-14(13-30-2)23-19-11-15(21(27)25-18-5-4-10-22-26-18)12-20(24-19)31-16-6-8-17(9-7-16)32(3,28)29/h4-12,14H,13H2,1-3H3,(H,23,24)(H,25,26,27)